N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]amino]acetamide
Formula:C19H20N3O4Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]amino]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]amino]acetamide |
| MolecularFormula | C19H20N3O4Br |
| Smiles | O=C(CNC(COc1cc(CCCC2)c2cc1)=O)N/N=C\c(o1)ccc1Br |
| InChI | InChI=1S/C19H20BrN3O4/c20-17-8-7-16(27-17)10-22-23-18(24)11-21-19(25)12-26-15-6-5-13-3-1-2-4-14(13)9-15/h5-10H,1-4,11-12H2,(H,21,25)(H,23,24) |
| InChIK | XOHXYENTBARVOL-UHFFFAOYSA-N |
| TotalMolweight | 434.289 |
| Molweight | 434.289 |
| MonoisotopicMass | 433.063718 |
| CLogP | 3.0283 |
| CLogS | -4.639 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 303.58 |
| Relative PSA | 0.27874 |
| PolarSurfaceArea | 92.93 |
| Druglikeness | -1.3289 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]amino]acetamide | 2 - N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]amino]acetamide
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